Results 211 to 220 of about 18,310,332 (287)

MolMiner: Toward Controllable, Three‐Dimensional‐Aware, Fragment‐Based Molecular Design

open access: yesAdvanced Intelligent Discovery, EarlyView.
MolMiner is a fragment‐based, geometry‐aware, and order‐agnostic generative model for molecular design with strong inductive biases. Using symmetry‐aware fragment assembly, dynamic three‐dimensional geometry, and multi‐property conditioning, MolMiner enables interpretable and controllable molecular generation.
Raul Ortega‐Ochoa   +2 more
wiley   +1 more source

Artificial Intelligence‐Driven Network Pharmacology: A Methodological Paradigm Shift Bridging Traditional Wisdom and Modern Science

open access: yesAdvanced Intelligent Discovery, EarlyView.
Artificial intelligence is redefining network pharmacology (NP). By integrating knowledge graph engineering, geometric deep learning, multiomics anchoring, and generative reasoning, AI‐driven NP (AI‐NP) transforms static target mapping into dynamic, predictive modeling.
Cong Wang   +9 more
wiley   +1 more source

Double Helix Structure for Stable Flexural Actuation in Soft Robotics

open access: yesAdvanced Intelligent Systems, EarlyView.
This work introduces a double‐helical architecture for soft robotic actuators that enhances twisting resistance, increases output force, and minimizes undesired deformation. Actuators driven by shape‐memory alloy wires exhibit a roughly fivefold higher torsional/flexural stiffness ratio and 50% greater force output.
Louis Plottel   +4 more
wiley   +1 more source

Complex transition pathways in boiling and cavitation. [PDF]

open access: yesJ Fluid Mech
Gallo M   +3 more
europepmc   +1 more source

A Two‐Stage Characterization Pipeline and Open‐Source Framework for Reproducible Tactile Sensing

open access: yesAdvanced Intelligent Systems, EarlyView.
The same soft tactile sensor returns different numbers when embodied in different robots. This is an Embodiment Gap that no shared framework currently captures transparently. A two‐stage characterization pipeline, paired with a FAIR open‐source digital datasheet, decouples intrinsic sensor behavior from embodiment effects and condenses cross‐laboratory
Matteo Lo Preti   +6 more
wiley   +1 more source

Artificial Intelligence for Advanced Functional Materials: Progress and Emerging Frontiers

open access: yesAdvanced Intelligent Systems, EarlyView.
Artificial intelligence is transforming the discovery of functional materials by linking synthesis, characterization, simulation, and design in unified workflows. Advances in machine learning, autonomous experimentation, and foundation models are accelerating innovation across energy, electronics, and biomedicine, while revealing new frontiers for ...
Cristiano Malica   +38 more
wiley   +1 more source

Comparative Analysis of Model‐Agnostic Explanation Methods in Materials Science

open access: yesAdvanced Intelligent Systems, EarlyView.
To address the critical lack of explainable artificial intelligence (XAI) benchmarks in materials science, we present a quantitative and qualitative analysis of six XAI methods applied to molecular fingerprints. Our results reveal significant discrepancies in feature importance rankings, demonstrating that the chosen explanation approach introduces ...
Anna Przybyłowska   +7 more
wiley   +1 more source

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